5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one

C18H10BrNO2 — CID 3124105

IUPAC5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one
SMILESO=C1C(c2ccnc3ccccc23)=C(O)c2cc(Br)ccc21
InChIInChI=1S/C18H10BrNO2/c19-10-5-6-13-14(9-10)18(22)16(17(13)21)12-7-8-20-15-4-2-1-3-11(12)15/h1-9,22H
InChIKeyGTHSCESHPXJRDY-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.62
Rot. Bonds1

About 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one

5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one (PubChem CID 3124105) has the molecular formula C18H10BrNO2 and a molecular weight of 352.19 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one
PubChem CID3124105
Molecular FormulaC18H10BrNO2
Molecular Weight352.19 g/mol
Exact Mass350.99
IUPAC Name5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one
SMILESO=C1C(c2ccnc3ccccc23)=C(O)c2cc(Br)ccc21
InChIInChI=1S/C18H10BrNO2/c19-10-5-6-13-14(9-10)18(22)16(17(13)21)12-7-8-20-15-4-2-1-3-11(12)15/h1-9,22H
InChIKeyGTHSCESHPXJRDY-UHFFFAOYSA-N
XLogP4.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one?
The IUPAC name of 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one (CID 3124105) is 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one.
What is the SMILES notation for 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one?
The canonical SMILES for 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one is O=C1C(c2ccnc3ccccc23)=C(O)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one?
The InChIKey is GTHSCESHPXJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrNO2/c19-10-5-6-13-14(9-10)18(22)16(17(13)21)12-7-8-20-15-4-2-1-3-11(12)15/h1-9,22H.
What are the key properties of 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one?
5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one has a molecular weight of 352.19 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-2-quinolin-4-ylinden-1-one is sourced from PubChem (CID 3124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).